ATOM 22
1 C8x C 20.0971 -16.0816
2 C8x C 20.0911 -17.4841
3 C8y C 21.3039 -18.1941
4 C8x C 21.3157 -15.3888
5 C8y C 22.5285 -16.0919
6 C8y C 22.5158 -17.4909
7 N4y N 23.7221 -18.2048
8 C8y C 24.9410 -17.5127
9 C8y C 24.9535 -16.1137
10 C8y C 23.7473 -15.4068
11 C1b C 26.1676 -15.4261
12 C1c C 27.3658 -16.1308
13 C1c C 28.5853 -15.4472
14 C1a C 29.7906 -16.1520
15 O2a O 21.2900 -19.5918
16 O2a O 23.7358 -14.0022
17 O5x O 26.1465 -18.2173
18 C1a C 28.5782 -14.0445
19 O1a O 27.3589 -17.5335
20 C1a C 24.9483 -13.2903
21 C1a C 22.5023 -20.2896
22 C1a C 23.7147 -19.6058
BOND 23
1 9 11 1
2 1 2 1
3 11 12 1
4 2 3 2
5 12 13 1
6 3 6 1
7 13 14 1
8 5 4 1
9 3 15 1
10 4 1 2
11 10 16 1
12 5 6 2
13 8 17 2
14 6 7 1
15 13 18 1
16 7 8 1
17 12 19 1 #Down
18 8 9 1
19 16 20 1
20 9 10 2
21 15 21 1
22 10 5 1
23 7 22 1
|